dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium

C11H15BMg2O2Y-2 — CID 161426906

IUPACdimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
SMILESCB([O-])[O-].[CH3-].[CH3-].[H]/[C-]=C/c1[c-]cccc1.[Mg+2].[Mg+2].[Y]
InChIInChI=1S/C8H6.CH3BO2.2CH3.2Mg.Y/c1-2-8-6-4-3-5-7-8;1-2(3)4;;;;;/h1-6H;1H3;2*1H3;;;/q2*-2;2*-1;2*+2;
InChIKeyAIPGDAVUKQICHM-UHFFFAOYSA-N
MW327.57 g/mol
LogP-0.11
Rot. Bonds1

About dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium

dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium (PubChem CID 161426906) has the molecular formula C11H15BMg2O2Y-2 and a molecular weight of 327.57 g/mol. Its IUPAC name is dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium.

Molecular Properties

Compound Namedimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
PubChem CID161426906
Molecular FormulaC11H15BMg2O2Y-2
Molecular Weight327.57 g/mol
Exact Mass326.99
IUPAC Namedimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
SMILESCB([O-])[O-].[CH3-].[CH3-].[H]/[C-]=C/c1[c-]cccc1.[Mg+2].[Mg+2].[Y]
InChIInChI=1S/C8H6.CH3BO2.2CH3.2Mg.Y/c1-2-8-6-4-3-5-7-8;1-2(3)4;;;;;/h1-6H;1H3;2*1H3;;;/q2*-2;2*-1;2*+2;
InChIKeyAIPGDAVUKQICHM-UHFFFAOYSA-N
XLogP-0.11
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 166041879
CID 166041879
ethenylbenzene;2H-isoindole;tungsten(2+)
CID 161337347
carbanide;1-phenyl-N-[2-(phenylmethylideneamino)phenyl]methanimine;platinum
CID 162490671
[(Z)-2-phenylethenyl]benzene
CID 101447651
phenylmethylideneazanide;yttrium
CID 58999598
magnesium;thiobenzaldehyde;bromide
CID 19909426
benzaldehyde;carbanide;tungsten(2+)
CID 20660194
1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)
CID 177172358
magnesium;ethenylbenzene;chloride;hydrobromide
CID 88801169
potassium phenylmethylideneazanide
CID 59945790
2-[(E)-2-phenylethenyl]benzaldehyde;yttrium
CID 155769853
cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
CID 159781760

Frequently Asked Questions

What is the IUPAC name of dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium?
The IUPAC name of dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium (CID 161426906) is dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium.
What is the SMILES notation for dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium?
The canonical SMILES for dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium is CB([O-])[O-].[CH3-].[CH3-].[H]/[C-]=C/c1[c-]cccc1.[Mg+2].[Mg+2].[Y].
What is the InChIKey of dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium?
The InChIKey is AIPGDAVUKQICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.CH3BO2.2CH3.2Mg.Y/c1-2-8-6-4-3-5-7-8;1-2(3)4;;;;;/h1-6H;1H3;2*1H3;;;/q2*-2;2*-1;2*+2;.
What are the key properties of dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium?
dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium has a molecular weight of 327.57 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium is sourced from PubChem (CID 161426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).